[4-chloranyl-2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-chloranyl-2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-chloro-2-[[2-furylmethyl(isopropylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-chloro-2-[[2-furanylmethyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl] ester IUPAC Name: [4-chloro-2-[[furan-2-ylmethyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-chloro-2-[[2-furfuryl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C18H23ClN2O5S MolecularWeight: 414.90362

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC2=CC=CO2)C(=O)NC(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=C(C=C1)Cl)CN(CC2=CC=CO2)C(=O)NC(C)C

InChI

InChI=1S/C18H23ClN2O5S/c1-4-27(23,24)26-17-8-7-15(19)10-14(17)11-21(18(22)20-13(2)3)12-16-6-5-9-25-16/h5-10,13H,4,11-12H2,1-3H3,(H,20,22)